Geometry & MOs

Info

ID:

382318

PubChem CID:

134973396

Reduced:

SO5N7C11H13 (1)

Stoich.:

AB5C7D11E13 (1)

Weight, g/mol:

1190.31889

ΔHf, kcal/mol:

-38.11

Dipole, Da:

4.54

IP(EA), eV:

 -9.36(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6R)-3,4,5-triacetyloxy-6-[[(3S,6R)-3,5-dihydroxy-4-[[(2R,5S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioylamino]-6-[[(3S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methylcarbamothioylamino]oxan-2-yl]methylcarbamothioylamino]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C(O[C@H](C(C1N=[N+]=[N-])OC(=O)C)N=C=S)CN=[N+]=[N-]

DOS

IR

Vibrations